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Substance Name: Amphotericin B, ethyl ester
RN: 55298-62-9
InChIKey: MNFMAAALCNPZSW-FOUHPWAISA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C49-H77-N-O17

Molecular Weight

  • 952.1373
 
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Names and Synonyms

  • Amophotericin B, ethyl ester
  • Amphotericin B, ethyl ester

Registry Numbers

CAS Registry Number

  • 55298-62-9

System Generated Number

  • 0055298629

Structure Descriptors

InChI

1S/C49H77NO17/c1-6-63-47(61)42-39(56)28-49(62)27-35(53)24-38(55)37(54)22-21-33(51)23-34(52)25-41(57)64-31(4)30(3)44(58)29(2)19-17-15-13-11-9-7-8-10-12-14-16-18-20-36(26-40(42)67-49)66-48-46(60)43(50)45(59)32(5)65-48/h7-20,29-40,42-46,48,51-56,58-60,62H,6,21-28,50H2,1-5H3/b8-7+,11-9+,12-10+,15-13+,16-14+,19-17+,20-18+/t29-,30-,31-,32+,33+,34+,35-,36-,37+,38+,39-,40-,42+,43-,44+,45+,46-,48-,49+/m0/s1

InChIKey

MNFMAAALCNPZSW-FOUHPWAISA-N

Smiles

CCOC(=O)[C@H]1[C@@H]2C[C@H](/C=C/C=C/C=C/C=C/C=C/C=C/C=C/[C@@H]([C@H]([C@H]([C@@H](OC(=O)C[C@@H](C[C@@H](CC[C@H]([C@@H](C[C@@H](C[C@@](O2)(C[C@@H]1O)O)O)O)O)O)O)C)C)O)C)O[C@H]3[C@H]([C@H]([C@@H]([C@H](O3)C)O)N)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous > 50mg/kg (50mg/kg)   Journal of Pharmaceutical Sciences. Vol. 64, Pg. 462, 1975.